Docloxythepin S-oxide
TL;DR: Docloxythepin S-oxide (CAS 73225-69-1) is a chemical compound with molecular formula C20H23ClN2O2S and molecular weight 390.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-(3-chloro-11-oxo-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)piperazin-1-yl]ethanol
Also Known As: Docloxythepin S-oxide, AE-641/30116049, 2-[4-(3-chloro-11-oxo-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)piperazin-1-yl]ethanol, 2-Chloro-10-[4- piperazino]-10,11-dihydrodibenzo[b,f]thiepin5-oxide, 2-Chloro-10-[4-(2-hydroxyethyl)piperazino]-10,11-dihydrodibenzo[b,f]thiepin 5-oxide
| Molecular Formula | C20H23ClN2O2S |
|---|---|
| Molecular Weight | 390.12 g/mol |
| LogP | 2.7138 |
| Topological Polar Surface Area | 43.78 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 390.11688 |
| Heavy Atoms | 26 |
| Complexity | 821.2085 |
Chemical Identifiers
| CAS Number | 73225-69-1 |
|---|---|
| SMILES | C1CN(CCN1CCO)C2CC3=C(C=CC(=C3)Cl)S(=O)C4=CC=CC=C24 |
Product Overview
Docloxythepin S-oxide (CAS 73225-69-1), with molecular formula C20H23ClN2O2S and molecular weight 390.12 g/mol. IUPAC: 2-[4-(3-chloro-11-oxo-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)piperazin-1-yl]ethanol.
Chemical Property Profile of Docloxythepin S-oxide
Property Insights of Docloxythepin S-oxide
The XLogP value of 2.7138 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Docloxythepin S-oxide. With a topological polar surface area (TPSA) of 43.78 Ų, Docloxythepin S-oxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Docloxythepin S-oxide has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Docloxythepin S-oxide?
The CAS number of Docloxythepin S-oxide is 73225-69-1.
What is the molecular formula of Docloxythepin S-oxide?
The molecular formula of Docloxythepin S-oxide is C20H23ClN2O2S.
What is the molecular weight of Docloxythepin S-oxide?
The molecular weight of Docloxythepin S-oxide is 390.12 g/mol.
Where can I buy Docloxythepin S-oxide?
You can request a quote for Docloxythepin S-oxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Docloxythepin S-oxide?
Yes, KEHONG BIO provides custom synthesis services for Docloxythepin S-oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.